- InChI
- InChI=1S/C22H24O4/c1-3-8-20(4-2)26-22(24)12-7-11-21(23)25-16-17-13-14-18-9-5-6-10-19(18)15-17/h3-6,9-10,13-15,20H,1-2,7-8,11-12,16H2
- InChI Key
- WQNLADPOGDGRGG-UHFFFAOYSA-N
- Formula
- C22H24O4
- SMILES
-
C=CCC(C=C)OC(=O)CCCC(=O)OCc1cc
c2ccccc2c1 - Molecular Weight1
- 352.42
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 49.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -325.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.73 | kJ/mol | Joback Calculated Property |
| log10WS | -6.30 | Crippen Calculated Property | |
| logPoct/wat | 4.727 | Crippen Calculated Property | |
| McVol | 283.900 | ml/mol | McGowan Calculated Property |
| Pc | 1496.51 | kPa | Joback Calculated Property |
| Inp | [2777.00; 2777.00] |
|
|
| Inp | 2777.00 | NIST | |
| Inp | 2777.00 | NIST | |
| Tboil | 898.90 | K | Joback Calculated Property |
| Tc | 1118.08 | K | Joback Calculated Property |
| Tfus | 535.14 | K | Joback Calculated Property |
| Vc | 1.085 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [863.89; 934.47] | J/mol×K | [898.90; 1118.08] |
|
| Cp,gas | 863.89 | J/mol×K | 898.90 | Joback Calculated Property |
| Cp,gas | 878.04 | J/mol×K | 935.43 | Joback Calculated Property |
| Cp,gas | 891.14 | J/mol×K | 971.96 | Joback Calculated Property |
| Cp,gas | 903.27 | J/mol×K | 1008.49 | Joback Calculated Property |
| Cp,gas | 914.49 | J/mol×K | 1045.02 | Joback Calculated Property |
| Cp,gas | 924.86 | J/mol×K | 1081.55 | Joback Calculated Property |
| Cp,gas | 934.47 | J/mol×K | 1118.08 | Joback Calculated Property |
| η | [0.0000877; 0.0006810] | Pa×s | [535.14; 898.90] |
|
| η | 0.0006810 | Pa×s | 535.14 | Joback Calculated Property |
| η | 0.0004067 | Pa×s | 595.77 | Joback Calculated Property |
| η | 0.0002672 | Pa×s | 656.39 | Joback Calculated Property |
| η | 0.0001884 | Pa×s | 717.02 | Joback Calculated Property |
| η | 0.0001403 | Pa×s | 777.65 | Joback Calculated Property |
| η | 0.0001091 | Pa×s | 838.27 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 898.90 | Joback Calculated Property |
Similar Compounds
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Sources
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